Methyl 3,7-dihydroxy-1-methyl-11,14-dioxo-9-prop-1-en-2-yl-5,16-dioxatricyclo[11.2.1.04,6]hexadecane-6-carboxylate
| Internal ID | 25c25837-eec5-4de2-b46c-ddc5b99b9894 |
| Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Beta hydroxy acids and derivatives |
| IUPAC Name | methyl 3,7-dihydroxy-1-methyl-11,14-dioxo-9-prop-1-en-2-yl-5,16-dioxatricyclo[11.2.1.04,6]hexadecane-6-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H28O8/c1-10(2)11-5-12(21)7-15-13(22)8-19(3,27-15)9-14(23)17-20(28-17,16(24)6-11)18(25)26-4/h11,14-17,23-24H,1,5-9H2,2-4H3 |
| InChI Key | LQKBZDWBXWSEMX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O8 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.17841785 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of Methyl 3,7-dihydroxy-1-methyl-11,14-dioxo-9-prop-1-en-2-yl-5,16-dioxatricyclo[11.2.1.04,6]hexadecane-6-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/79d713e0-85a1-11ee-bafc-6f07c3c54f58.jpg "2D Structure of Methyl 3,7-dihydroxy-1-methyl-11,14-dioxo-9-prop-1-en-2-yl-5,16-dioxatricyclo[11.2.1.04,6]hexadecane-6-carboxylate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.42% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.04% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.35% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.94% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.00% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.93% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.49% | 98.95% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.68% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.67% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.25% | 99.23% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.88% | 91.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.87% | 96.95% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 84.45% | 90.48% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.25% | 91.07% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.09% | 83.82% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.62% | 97.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.54% | 97.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.89% | 95.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.76% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.36% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.82% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.53% | 94.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 75219030 |
| LOTUS | LTS0176555 |
| wikiData | Q105155585 |